AG00IATJ

612-25-9 | Benzenemethanol, nitro-

AG00IATJ

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CAS Number	612-25-9
Catalog Number	AG00IATJ(AGN-PC-0BSTLY)
Chemical Name	Benzenemethanol, nitro-
EC Number	210-302-6
IUPAC Name	(2-nitrophenyl)methanol
InChI	InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
InChI Key	BWRBVBFLFQKBPT-UHFFFAOYSA-N
MDL Number	MFCD00007186
Molecular Formula	C7H7NO3
Molecular Weight	153.1354
NSC Number	66512
SMILES	C1=CC=CC(=C1CO)[N+](=O)[O-]
UNII	5M66390M78
Synonyms	2-nitrobenzyl alcohol, o-nitrobenzyl alcohol, 2-Nitrobenzyl alcohol, 612-25-9, (2-Nitrophenyl)methanol, O-NITROBENZYL ALCOHOL, Benzyl alcohol, o-nitro-, Benzenemethanol, 2-nitro-, 2-Nitrobenzenemethanol, Benzenemethanol, nitro-, o-Hydroxymethylnitrobenzene, CCRIS 7967, UNII-5M66390M78, EINECS 210-302-6, MFCD00007186, NSC 66512, BRN 2046649, 2-Nitrobenzyl alcohol, 97%, AI3-16131, CHEMBL369485, BWRBVBFLFQKBPT-UHFFFAOYSA-N, 5M66390M78, (2-nitrophenyl)methan-1-ol, 2-nitrobenzylalcohol, o-nitrophenylcarbinol, o-nitro benzylalcohol, 2-nitro-benzylalcohol, PubChem7474, 2-Nitrophenyl methanol, ACMC-1AVNR, AC1Q7BWK, (2-Nitrophenyl)methanol #, AC1L1YG0, NCIOpen2_000032, SCHEMBL68381, 4-06-00-02608 (Beilstein Handbook Reference), KSC492O4F, CTK3J2742, DTXSID40210101, ZINC157463, Benzenemethanol, 2-nitro- (9CI), KS-00000N6V, NSC66512, ANW-33734, BDBM50079637, NSC-66512, SBB058559, AKOS007930543, AM81460, AN-6844, AS00572, CS-W016285, MCULE-4220005125, PS-5308, RP17370, RTR-037273, VZ25086, AJ-15032, AK-47358, BR-47358, CJ-01666, LS-43118, SC-75082, ZB006694, AB0011898, DB-013419, TR-037273, FT-0613186, N0179, ST24032518, ST51028324, A22366, M-7293, A833111, I01-0574, W-105172, F0001-1612, 1-(Bromomethyl)-3-nitrobenzene;m-(Bromomethyl)nitrobenzene, InChI=1/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H, 3-Nitrobenzyl bromide, C7H7NO3, C7-H7-N-O3, CID11923, 2-Nitrobenzyl alcohol, 98% - 100G 100g, 3958-57-4,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.137g/mol
Monoisotopic Mass	153.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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