AG00046Q

1013-83-8 | 2-Naphthalenecarboxylic acid, 5-bromo-

AG00046Q

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CAS Number	1013-83-8
Catalog Number	AG00046Q(AGN-PC-0034G2)
Chemical Name	2-Naphthalenecarboxylic acid, 5-bromo-
IUPAC Name	5-bromonaphthalene-2-carboxylic acid
InChI	InChI=1S/C11H7BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
InChI Key	QPOQPJDDJJNVRY-UHFFFAOYSA-N
MDL Number	MFCD08236734
Molecular Formula	C11H7BrO2
Molecular Weight	251.0761
SMILES	BrC1=C2C=CC(=CC2=CC=C1)C(=O)O
Synonyms	5-BROMO-2-NAPHTHOIC ACID, 1013-83-8, 5-Bromonaphthalene-2-carboxylic acid, 2-NAPHTHALENECARBOXYLIC ACID, 5-BROMO-, 2-Naphthalenecarboxylicacid, 5-bromo-, 5-bromo-2-napthoic acid, SCHEMBL3106132, CTK0H1607, DTXSID50566121, QPOQPJDDJJNVRY-UHFFFAOYSA-N, KS-000025YQ, ANW-49001, MFCD08236734, QC-846, ZINC21297210, 5-bromo-naphthalene-2-carboxylic acid, AKOS005067145, AB43882, CS-W022315, GS-3960, RP28932, RP28934, AJ-78096, AK-28350, BR-28350, SC-44409, AB0034407, DB-014561, ST2411819, TL8000089, TX-017174, 4CH-006571, 5-BROMO-2-NAPHTHALENECARBOXYLIC ACID, AM20020079, FT-0649455, X8560, S-6051, I04-1402, J-516983, Z1741978628, C11H7BrO2,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.963g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.079g/mol
Monoisotopic Mass	249.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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