AG0096ZL

109179-31-9 | 2-Bromo-3-methylbenzaldehyde

AG0096ZL

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CAS Number	109179-31-9
Catalog Number	AG0096ZL(AGN-PC-00NNE9)
Chemical Name	2-Bromo-3-methylbenzaldehyde
IUPAC Name	2-bromo-3-methylbenzaldehyde
InChI	InChI=1S/C8H7BrO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChI Key	CYQUDJGXCABLPN-UHFFFAOYSA-N
MDL Number	MFCD18392002
Molecular Formula	C8H7BrO
Molecular Weight	199.0446
SMILES	O=CC1=CC=CC(C)=C1Br
Synonyms	2-Bromo-3-methylbenzaldehyde, 109179-31-9, Benzaldehyde, 2-bromo-3-methyl-, SCHEMBL1745390, KS-00000SCA, CYQUDJGXCABLPN-UHFFFAOYSA-N, MFCD18392002, ZINC34129728, 2-BROMO-3-METHYL-BENZALDEHYDE, AKOS022646081, DS-7392, AJ-87098, AK153145, SC-66381, CS-0031379, ACN-043267,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.968g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.047g/mol
Monoisotopic Mass	197.968g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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